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5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
Descriptor: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Brazell, T.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
Descriptor: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5IH8
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BU of 5ih8 by Molmil
MELK in complex with NVS-MELK1
Descriptor: Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
4IL1
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BU of 4il1 by Molmil
Crystal Structure of the Rat Calcineurin
Descriptor: CALCIUM ION, Calmodulin, Calcineurin subunit B type 1, ...
Authors:Ye, Q, Faucher, F, Jia, Z.
Deposit date:2012-12-28
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of calcineurin activation by calmodulin.
Cell Signal, 25, 2013
4TOY
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BU of 4toy by Molmil
Structure of 35O22 Fab, a HIV-1 neutralizing antibody
Descriptor: 35O22 Fab Heavy chain, 35O22 Fab Light chain
Authors:Pancera, M, Kwong, P.D.
Deposit date:2014-06-06
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Broad and potent HIV-1 neutralization by a human antibody that binds the gp41-gp120 interface.
Nature, 515, 2014
4RKG
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BU of 4rkg by Molmil
Structure of the MSL2 CXC domain bound with a non-specific (GC)6 DNA
Descriptor: DNA (5'-D(*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*C)-3'), E3 ubiquitin-protein ligase msl-2, ZINC ION
Authors:Zheng, S, Ye, K.
Deposit date:2014-10-13
Release date:2015-01-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation.
Genes Dev., 28, 2014
4Y46
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BU of 4y46 by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
Descriptor: 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4RKH
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BU of 4rkh by Molmil
Structure of the MSL2 CXC domain bound with a specific MRE sequence
Descriptor: DNA (5'-D(*AP*TP*CP*CP*AP*TP*CP*TP*CP*GP*CP*TP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*AP*GP*CP*GP*AP*GP*AP*TP*GP*GP*AP*T)-3'), E3 ubiquitin-protein ligase msl-2, ...
Authors:Zheng, S, Ye, K.
Deposit date:2014-10-13
Release date:2015-01-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation.
Genes Dev., 28, 2014
4Y5H
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BU of 4y5h by Molmil
Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors
Descriptor: 1-(trans-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl)-3-propan-2-ylurea, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2015-02-11
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4OIP
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BU of 4oip by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077, ATP, and CMPcPP
Descriptor: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4OIR
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BU of 4oir by Molmil
Crystal structure of Thermus thermophilus RNA polymerase transcription initiation complex soaked with GE23077 and rifamycin SV
Descriptor: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4OIQ
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BU of 4oiq by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077 and rifampicin
Descriptor: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.624 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4PNJ
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BU of 4pnj by Molmil
Recombinant Sperm Whale P6 Myoglobin Solved with Single Pulse Free Electron Laser Data
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Cohen, A, Gonzalez, A, Lam, W, Lyubimov, A, Sauter, N, Tsai, Y, Uervirojnangkoorn, M, Brunger, A, Soltis, M.
Deposit date:2014-05-23
Release date:2014-11-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Goniometer-based femtosecond crystallography with X-ray free electron lasers.
Proc.Natl.Acad.Sci.USA, 111, 2014
4OIO
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BU of 4oio by Molmil
Crystal structure of Thermus thermophilus pre-insertion substrate complex for de novo transcription initiation
Descriptor: 5'-D(*CP*CP*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4OIN
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BU of 4oin by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077
Descriptor: (2Z)-2-methylbut-2-enoic acid, 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', ...
Authors:Zhang, Y, Ebright, R.H, Arnold, E.
Deposit date:2014-01-20
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
4MQ9
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BU of 4mq9 by Molmil
Crystal structure of Thermus thermophilus RNA polymerase holoenzyme in complex with GE23077
Descriptor: (2Z)-2-methylbut-2-enoic acid, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Ho, M.X, Arnold, E, Ebright, R.H, Zhang, Y, Tuske, S.
Deposit date:2013-09-16
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:GE23077 binds to the RNA polymerase 'i' and 'i+1' sites and prevents the binding of initiating nucleotides.
Elife, 3, 2014
6LHD
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BU of 6lhd by Molmil
Crystal structure of p53/BCL-xL fusion complex
Descriptor: ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53
Authors:Wei, H, Chen, Y.
Deposit date:2019-12-07
Release date:2021-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
4MY5
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BU of 4my5 by Molmil
Crystal structure of the aromatic amino acid aminotransferase from Streptococcus mutants
Descriptor: Putative amino acid aminotransferase
Authors:Cong, X, Li, X, Ge, J, Feng, Y, Feng, X, Li, S.
Deposit date:2013-09-27
Release date:2014-10-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Crystal structure of the aromatic-amino-acid aminotransferase from Streptococcus mutans.
Acta Crystallogr.,Sect.F, 75, 2019
7EW4
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BU of 7ew4 by Molmil
Cryo-EM structure of CYM-5541-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhao, C, Wang, W, Wang, H.L, Shao, Z.H.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
7EW2
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BU of 7ew2 by Molmil
Cryo-EM structure of pFTY720-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein
Descriptor: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, C, Wang, W, Wang, H.L, Shao, Z.H.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
7EW3
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BU of 7ew3 by Molmil
Cryo-EM structure of S1P-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhao, C, Wang, W, Wang, H.L, Shao, Z.H.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
3LFM
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BU of 3lfm by Molmil
Crystal structure of the fat mass and obesity associated (FTO) protein reveals basis for its substrate specificity
Descriptor: 3-methylthymidine, FE (II) ION, N-OXALYLGLYCINE, ...
Authors:Chai, J, Han, Z.
Deposit date:2010-01-18
Release date:2010-04-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the FTO protein reveals basis for its substrate specificity
Nature, 464, 2010
4PS4
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BU of 4ps4 by Molmil
Crystal structure of the complex between IL-13 and M1295 FAB
Descriptor: Interleukin-13, M1295 HEAVY CHAIN, M1295 LIGHT CHAIN
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2014-03-06
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human Framework Adaptation of a Mouse Anti-Human Il-13 Antibody.
J.Mol.Biol., 398, 2010
3NAC
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BU of 3nac by Molmil
Crystal structure of Fab15 Mut7
Descriptor: ACETATE ION, Fab15 Mut7 heavy chain, Fab15 Mut7 light chain, ...
Authors:Luo, J.
Deposit date:2010-06-01
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Co-evolution of antibody stability and Vk CDR-L3 canonical structure
To be Published
3NAB
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BU of 3nab by Molmil
Crystal Structure of fab15 Mut6
Descriptor: ACETATE ION, Fab15 Mut6 heavy chain, Fab15 Mut6 light chain, ...
Authors:Luo, J.
Deposit date:2010-06-01
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Co-evolution of antibody stability and Vk CDR-L3 canonical structure
To be Published

223532

數據於2024-08-07公開中

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